Fig. 2
From: Precision and efficiency in solid-state pseudopotential calculations
SSSP testing protocol applied to palladium. For each pseudopotential the convergence w.r.t. the wavefunction cutoff of the zone-boundary phonons \(\left( {\delta \bar \omega } \right)\), cohesive energy (δEcoh), pressure (δVpress) and bands structure (η10 and max η10) is monitored. The horizontal dashed lines correspond to the thresholds of the SSSP selection criteria (efficiency or precision); here precision is shown. On the right-hand side we report the number of valence electrons of the pseudopotential (Z), the Δ-factor and the Δ′-factor with respect to the reference all-electron results and the converged value of the highest phonon frequency (ωmax). The circle marks the pseudopotential and wavefunction cutoff chosen for the SSSP library (version 1.1). All convergence pattern plots of the 85 elements tested are available on the Materials Cloud platform (https://www.materialscloud.org/)
